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CHEBI:225462 - Acremonpeptide A

ChEBI IDCHEBI:225462
ChEBI NameAcremonpeptide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H61N9O13
Net Charge0
Average Mass863.967
Monoisotopic Mass863.43888
SMILESCC(=O)N(O)CCC[C@@H]1NC(=O)[C@H](CCCN(O)C(C)=O)NC(=O)[C@H](CCCN(O)C(C)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC1=O
InChIInChI=1S/C39H61N9O13/c1-23(2)20-31-37(56)44-32(21-27-12-7-6-8-13-27)38(57)42-29(15-10-18-47(60)25(4)51)35(54)40-28(14-9-17-46(59)24(3)50)34(53)41-30(16-11-19-48(61)26(5)52)36(55)45-33(22-49)39(58)43-31/h6-8,12-13,23,28-33,49,59-61H,9-11,14-22H2,1-5H3,(H,40,54)(H,41,53)(H,42,57)(H,43,58)(H,44,56)(H,45,55)/t28-,29-,30-,31-,32-,33-/m0/s1
InChIKeyZWTDABBYXDAIOL-FSJACQRISA-N
Species of MetaboliteComponentSourceComments
Acremonium (ncbitaxon:159075) - PubMed (31503476)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Acremonpeptide A (CHEBI:225462) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
N-[3-[(2S,5S,8S,11S,14S,17S)-5,17-bis[3-[acetyl(hydroxy)amino]propyl]-14-benzyl-8-(hydroxymethyl)-11-(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-hydroxyacetamide
Manual XrefsDatabases
81163326ChemSpider